Information card for entry 4067355

Structure parameters

• Formula: C10 H12 Cl F6 N4 O P Pt S
• Calculated formula: C10 H12 Cl F6 N4 O P Pt S
• SMILES: [Pt]1([n]2c(c3[n]1cccn3)nccc2)([S](=O)(C)C)Cl.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Platinum(II) Complexes Containing Quaternized Nitrogen Ligands: Synthesis, Stability, and Evaluation as Catalysts for Methane and Benzene H/D Exchange
• Authors of publication: Villalobos, Janette M.; Hickman, Amanda J.; Sanford, Melanie S.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 257
• a: 9.2567 ± 0.0012 Å
• b: 9.6582 ± 0.0012 Å
• c: 10.1176 ± 0.0013 Å
• α: 89.924 ± 0.002°
• β: 73.19 ± 0.002°
• γ: 76.363 ± 0.002°
• Cell volume: 839.31 ± 0.19 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No